4-[1,6-Dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-phenylalanine methyl ester hydrochloride

HCID 69716006

Basic information

Standard SMILES
COC(=O)[C@@H](N)Cc1ccc(-c2c(C(F)(F)F)cc(C)n(C)c2=O)cc1.Cl
InChIKey
GARYGRXIMZOGIZ-UQKRIMTDSA-N
Molecular formula
C18H20ClF3N2O3
Average molar mass
404.8 g/mol
Monoisotopic mass
404.1114547

Names & identifiers

Preferred name
4-[1,6-Dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-phenylalanine methyl ester hydrochloride
IUPAC
methyl (2S)-2-amino-3-[4-[1,6-dimethyl-2-oxo-4-(trifluoromethyl)-3-pyridinyl]phenyl]propanoate;hydrochloride

Names & synonyms

4-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-phenylalanine methyl ester hydrochlorideSCHEMBL62377634-[1,6-dimethyl-4-(trifluoromethyl)-2-oxo-3-pyridinyl]-L-phenylalanine methyl ester hydrochloride salt

Database identifiers

PubChem CID
69716006

Properties

Computed structural properties

Topological polar surface area
72.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
27

Related reactions

8 records

Compound notes

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